4,6-bis(tert-butylsulfanyl)-N-methyl-1,3,5-triazin-2-amine

C12H22N4S2 — CID 70472182

IUPAC4,6-bis(tert-butylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(SC(C)(C)C)nc(SC(C)(C)C)n1
InChIInChI=1S/C12H22N4S2/c1-11(2,3)17-9-14-8(13-7)15-10(16-9)18-12(4,5)6/h1-7H3,(H,13,14,15,16)
InChIKeyCNIFSODIZKWLKH-UHFFFAOYSA-N
MW286.47 g/mol
LogP3.69
Rot. Bonds3

About 4,6-bis(tert-butylsulfanyl)-N-methyl-1,3,5-triazin-2-amine

4,6-bis(tert-butylsulfanyl)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 70472182) has the molecular formula C12H22N4S2 and a molecular weight of 286.47 g/mol. Its IUPAC name is 4,6-bis(tert-butylsulfanyl)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(tert-butylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
PubChem CID70472182
Molecular FormulaC12H22N4S2
Molecular Weight286.47 g/mol
Exact Mass286.13
IUPAC Name4,6-bis(tert-butylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(SC(C)(C)C)nc(SC(C)(C)C)n1
InChIInChI=1S/C12H22N4S2/c1-11(2,3)17-9-14-8(13-7)15-10(16-9)18-12(4,5)6/h1-7H3,(H,13,14,15,16)
InChIKeyCNIFSODIZKWLKH-UHFFFAOYSA-N
XLogP3.69
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(tert-butylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(tert-butylsulfanyl)-N-methyl-1,3,5-triazin-2-amine (CID 70472182) is 4,6-bis(tert-butylsulfanyl)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(tert-butylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(tert-butylsulfanyl)-N-methyl-1,3,5-triazin-2-amine is CNc1nc(SC(C)(C)C)nc(SC(C)(C)C)n1.
What is the InChIKey of 4,6-bis(tert-butylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is CNIFSODIZKWLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S2/c1-11(2,3)17-9-14-8(13-7)15-10(16-9)18-12(4,5)6/h1-7H3,(H,13,14,15,16).
What are the key properties of 4,6-bis(tert-butylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
4,6-bis(tert-butylsulfanyl)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 286.47 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(tert-butylsulfanyl)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 70472182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).